Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ngf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE GLY 234.A O no hydrogen 3.315 N/A ARG 3.A NH2 ARG 233.A O no hydrogen 2.847 N/A ALA 5.A N VAL 236.A O no hydrogen 2.916 N/A ALA 6.A N GLY 31.A O no hydrogen 3.050 N/A ASN 7.A ND2 GLU 33.A OE2 no hydrogen 2.910 N/A LEU 8.A N GLU 33.A O no hydrogen 2.834 N/A SER 9.A N ASN 7.A OD1 no hydrogen 2.910 N/A THR 10.A N ASN 7.A OD1 no hydrogen 3.113 N/A THR 10.A OG1 TYR 240.A O no hydrogen 2.826 N/A MET 11.A N ASN 7.A O no hydrogen 2.762 N/A PHE 12.A N THR 246.A OG1 no hydrogen 2.847 N/A ASN 13.A ND2 SER 9.A O no hydrogen 3.417 N/A VAL 15.A N PHE 12.A O no hydrogen 3.189 N/A GLU 19.A N.A PRO 16.A O no hydrogen 2.997 N/A GLU 19.A N.B PRO 16.A O no hydrogen 3.015 N/A ARG 20.A N PHE 17.A O no hydrogen 2.965 N/A ARG 20.A NE VAL 15.A O no hydrogen 2.796 N/A ARG 20.A NH1 LEU 8.A O no hydrogen 2.830 N/A ARG 20.A NH2 VAL 15.A O no hydrogen 3.013 N/A ARG 22.A NH1 GLU 26.A OE2 no hydrogen 3.119 N/A LEU 23.A N GLU 19.A O.A no hydrogen 3.477 N/A LEU 23.A N GLU 19.A O.B no hydrogen 3.411 N/A ALA 24.A N ARG 20.A O no hydrogen 2.949 N/A ALA 25.A N PHE 21.A O no hydrogen 3.024 N/A GLU 26.A N ARG 22.A O no hydrogen 2.877 N/A ALA 27.A N LEU 23.A O no hydrogen 3.026 N/A ALA 27.A N ALA 24.A O no hydrogen 3.221 N/A GLY 28.A N ALA 25.A O no hydrogen 2.974 N/A PHE 29.A N ALA 24.A O no hydrogen 3.036 N/A VAL 32.A N THR 55.A O no hydrogen 2.890 N/A GLU 33.A N ALA 6.A O no hydrogen 2.864 N/A LEU 35.A N SER 9.A OG no hydrogen 2.940 N/A TYR 38.A OH ASN 60.A O no hydrogen 2.671 N/A PHE 40.A N PRO 37.A O no hydrogen 2.971 N/A ASP 43.A N ASP 41.A OD1 no hydrogen 3.022 N/A VAL 44.A N ASP 41.A O no hydrogen 3.034 N/A ILE 45.A N.A ASP 41.A O no hydrogen 3.214 N/A ILE 45.A N.B ASP 41.A O no hydrogen 3.222 N/A ALA 46.A N ALA 42.A O no hydrogen 2.867 N/A ARG 47.A N ASP 43.A O no hydrogen 3.066 N/A GLU 48.A N VAL 44.A O no hydrogen 2.924 N/A LEU 49.A N ILE 45.A O.A no hydrogen 3.028 N/A LEU 49.A N ILE 45.A O.B no hydrogen 3.046 N/A LYS 50.A N ALA 46.A O no hydrogen 3.005 N/A GLN 51.A N ARG 47.A O no hydrogen 2.860 N/A HIS 52.A N GLU 48.A O no hydrogen 3.168 N/A ASN 53.A N.A LYS 50.A O no hydrogen 3.339 N/A ASN 53.A N.B LYS 50.A O no hydrogen 3.334 N/A LEU 54.A N LEU 49.A O no hydrogen 2.891 N/A THR 55.A N GLY 30.A O no hydrogen 2.929 N/A GLN 56.A NE2 LEU 58.A O no hydrogen 2.956 N/A VAL 57.A N VAL 32.A O no hydrogen 2.868 N/A ASN 60.A N LEU 35.A O no hydrogen 2.783 N/A MET 61.A N HIS 103.A O no hydrogen 2.888 N/A ASP 65.A N GLU 70.A OE1 no hydrogen 2.801 N/A ALA 68.A N ASP 65.A O no hydrogen 3.100 N/A ALA 68.A N ASP 65.A OD1 no hydrogen 3.250 N/A GLY 69.A N TRP 66.A O no hydrogen 2.839 N/A GLU 70.A N ASP 65.A O no hydrogen 3.040 N/A ARG 71.A NH1 TRP 66.A O no hydrogen 3.059 N/A ARG 71.A NH1 GLU 70.A O no hydrogen 2.873 N/A GLY 72.A N PRO 63.A O no hydrogen 2.875 N/A ALA 74.A N MET 105.A O no hydrogen 3.149 N/A ALA 75.A N SER 106.A O no hydrogen 2.939 N/A ILE 76.A N MET 73.A O.A no hydrogen 2.983 N/A ILE 76.A N MET 73.A O.B no hydrogen 3.326 N/A SER 77.A OG.B THR 120.A OG1 no hydrogen 2.752 N/A GLY 78.A N GLU 80.A OE1 no hydrogen 3.056 N/A GLY 78.A N GLU 80.A OE2 no hydrogen 3.185 N/A ARG 79.A N ILE 76.A O no hydrogen 3.221 N/A ARG 79.A NE GLU 82.A OE1 no hydrogen 2.883 N/A ARG 79.A NH1 GLU 70.A OE2 no hydrogen 3.102 N/A ARG 79.A NH2 GLU 70.A OE1 no hydrogen 2.727 N/A ARG 79.A NH2 GLU 82.A OE1 no hydrogen 3.392 N/A ARG 79.A NH2 GLU 82.A OE2 no hydrogen 2.971 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.940 N/A GLN 81.A NE2 GLN 81.A O no hydrogen 3.569 N/A GLN 81.A NE2 ASP 85.A OD1 no hydrogen 3.174 N/A PHE 83.A N ARG 79.A O no hydrogen 2.857 N/A ARG 84.A N GLU 80.A O no hydrogen 2.832 N/A ASP 85.A N GLN 81.A O no hydrogen 2.820 N/A ASN 86.A N GLU 82.A O no hydrogen 2.939 N/A VAL 87.A N PHE 83.A O no hydrogen 2.991 N/A VAL 87.A N ARG 84.A O no hydrogen 3.144 N/A ASP 88.A N.A ARG 84.A O no hydrogen 3.454 N/A ILE 89.A N ASP 85.A O no hydrogen 3.431 N/A ALA 90.A N ASN 86.A O no hydrogen 2.916 N/A LEU 91.A N VAL 87.A O no hydrogen 2.846 N/A HIS 92.A N ASP 88.A O.A no hydrogen 2.968 N/A HIS 92.A N ASP 88.A O.B no hydrogen 3.006 N/A TYR 93.A N ILE 89.A O no hydrogen 3.285 N/A TYR 93.A OH PHE 40.A O no hydrogen 2.645 N/A ALA 94.A N ALA 90.A O no hydrogen 2.801 N/A LEU 95.A N LEU 91.A O no hydrogen 2.827 N/A ALA 96.A N HIS 92.A O no hydrogen 3.154 N/A LEU 97.A N TYR 93.A O no hydrogen 2.931 N/A ASP 98.A N LEU 95.A O no hydrogen 3.245 N/A CYS 99.A N ALA 94.A O no hydrogen 2.931 N/A CYS 99.A SG GLN 56.A O no hydrogen 3.628 N/A CYS 99.A SG THR 101.A O no hydrogen 3.210 N/A ARG 100.A NE.A ASP 98.A OD1 no hydrogen 2.991 N/A ARG 100.A NE.B GLY 136.A O no hydrogen 2.727 N/A ARG 100.A NH2.A ASP 98.A OD1 no hydrogen 3.101 N/A ARG 100.A NH2.B GLY 136.A O no hydrogen 2.834 N/A LEU 102.A N THR 138.A O no hydrogen 2.915 N/A HIS 103.A N PHE 59.A O no hydrogen 2.960 N/A ALA 104.A N LEU 140.A O no hydrogen 3.044 N/A SER 106.A N TYR 152.A OH no hydrogen 2.853 N/A THR 109.A N GLY 151.A O no hydrogen 3.013 N/A GLU 110.A N.A GLY 151.A O no hydrogen 3.363 N/A GLU 110.A N.B GLY 151.A O no hydrogen 3.365 N/A LEU 112.A N THR 109.A O no hydrogen 2.953 N/A ARG 114.A NE GLU 118.A OE2 no hydrogen 3.067 N/A ARG 114.A NH1 PHE 153.A O no hydrogen 3.013 N/A ARG 114.A NH2 PHE 153.A O no hydrogen 2.774 N/A LYS 115.A NZ GLU 119.A OE2 no hydrogen 2.655 N/A ALA 116.A N ASP 113.A OD2 no hydrogen 2.982 N/A CYS 117.A N ASP 113.A O no hydrogen 3.044 N/A CYS 117.A SG ALA 75.A O no hydrogen 3.390 N/A CYS 117.A SG ASP 113.A O no hydrogen 3.372 N/A GLU 118.A N ARG 114.A O no hydrogen 2.956 N/A GLU 119.A N LYS 115.A O no hydrogen 2.969 N/A THR 120.A N ALA 116.A O no hydrogen 2.969 N/A THR 120.A OG1 SER 77.A OG.B no hydrogen 2.752 N/A THR 120.A OG1 ALA 116.A O no hydrogen 3.077 N/A PHE 121.A N CYS 117.A O no hydrogen 2.863 N/A ILE 122.A N GLU 118.A O no hydrogen 3.071 N/A GLU 123.A N GLU 119.A O no hydrogen 3.106 N/A ASN 124.A N THR 120.A O no hydrogen 2.886 N/A ASN 124.A ND2 ALA 74.A O no hydrogen 2.797 N/A PHE 125.A N PHE 121.A O no hydrogen 2.871 N/A ARG 126.A N ILE 122.A O no hydrogen 2.867 N/A ARG 126.A NE VAL 167.A O no hydrogen 2.965 N/A ARG 126.A NH2 ARG 166.A O no hydrogen 2.874 N/A TYR 127.A N GLU 123.A O no hydrogen 3.049 N/A ALA 128.A N ASN 124.A O no hydrogen 2.889 N/A ALA 129.A N PHE 125.A O no hydrogen 2.892 N/A ASP 130.A N ARG 126.A O no hydrogen 2.914 N/A LYS 131.A N TYR 127.A O no hydrogen 2.997 N/A LEU 132.A N ALA 128.A O no hydrogen 2.897 N/A ALA 133.A N ALA 129.A O no hydrogen 2.935 N/A HIS 135.A N LEU 132.A O no hydrogen 3.000 N/A GLY 136.A N ALA 133.A O no hydrogen 3.066 N/A ILE 137.A N LEU 132.A O no hydrogen 3.174 N/A THR 138.A N ARG 100.A O.A no hydrogen 2.849 N/A THR 138.A N ARG 100.A O.B no hydrogen 2.919 N/A VAL 139.A N ASN 171.A O no hydrogen 3.011 N/A LEU 140.A N LEU 102.A O no hydrogen 2.727 N/A VAL 141.A N ALA 173.A O no hydrogen 3.098 N/A LEU 144.A N ILE 154.A O no hydrogen 3.011 N/A ASN 145.A ND2 ASN 148.A OD1 no hydrogen 3.044 N/A ASN 145.A ND2 HIS 180.A ND1 no hydrogen 2.900 N/A ARG 147.A N ASN 145.A OD1 no hydrogen 2.831 N/A ASN 148.A N ASN 145.A OD1 no hydrogen 2.793 N/A MET 149.A N ASN 145.A O no hydrogen 2.887 N/A TYR 152.A N MET 149.A O no hydrogen 3.153 N/A PHE 153.A N GLY 107.A O no hydrogen 3.085 N/A HIS 156.A ND1 ASP 185.A OD1 no hydrogen 2.745 N/A GLN 157.A N ASP 185.A OD2 no hydrogen 2.880 N/A ALA 160.A N HIS 156.A O no hydrogen 3.119 N/A VAL 161.A N GLN 157.A O no hydrogen 3.017 N/A GLY 162.A N LEU 158.A O no hydrogen 2.957 N/A LEU 163.A N GLU 159.A O no hydrogen 2.952 N/A VAL 164.A N ALA 160.A O no hydrogen 2.897 N/A LYS 165.A N.A VAL 161.A O no hydrogen 3.036 N/A LYS 165.A N.B VAL 161.A O no hydrogen 3.032 N/A ARG 166.A N GLY 162.A O no hydrogen 3.216 N/A ARG 166.A NH1 GLU 118.A OE1 no hydrogen 2.920 N/A VAL 167.A N LEU 163.A O no hydrogen 3.077 N/A ASN 168.A N VAL 164.A O no hydrogen 3.173 N/A ARG 169.A NE ASP 130.A OD1 no hydrogen 2.861 N/A ARG 169.A NH1 ASN 168.A O no hydrogen 3.015 N/A ASN 171.A ND2 ALA 129.A O no hydrogen 2.992 N/A ASN 171.A ND2 ILE 137.A O no hydrogen 2.863 N/A VAL 172.A N ARG 169.A O no hydrogen 3.289 N/A ALA 173.A N VAL 139.A O no hydrogen 3.237 N/A VAL 174.A N ALA 198.A O no hydrogen 3.026 N/A GLN 175.A N VAL 141.A O no hydrogen 2.840 N/A GLN 175.A NE2 GLN 203.A OE1 no hydrogen 2.995 N/A LEU 176.A N HIS 201.A O no hydrogen 2.906 N/A LEU 178.A N GLN 203.A O no hydrogen 2.864 N/A TYR 179.A N ASP 177.A OD1 no hydrogen 3.063 N/A TYR 179.A OH ASN 148.A OD1 no hydrogen 2.683 N/A HIS 180.A N ASP 177.A OD1 no hydrogen 3.491 N/A ALA 181.A N ASP 177.A O no hydrogen 2.918 N/A GLN 182.A N LEU 178.A O no hydrogen 2.864 N/A GLN 182.A NE2 GLU 217.A OE2 no hydrogen 2.763 N/A ILE 183.A N TYR 179.A O no hydrogen 3.250 N/A MET 184.A N HIS 180.A O no hydrogen 3.052 N/A ASP 185.A N ALA 181.A O no hydrogen 2.865 N/A GLY 186.A N ALA 181.A O no hydrogen 2.935 N/A ARG 190.A NH1 GLU 193.A OE1 no hydrogen 2.979 N/A LEU 191.A N ASP 187.A O no hydrogen 2.863 N/A ILE 192.A N LEU 188.A O no hydrogen 2.861 N/A GLU 193.A N THR 189.A O no hydrogen 3.051 N/A LYS 194.A N ARG 190.A O no hydrogen 2.900 N/A MET 195.A N LEU 191.A O no hydrogen 2.823 N/A ASN 196.A N GLU 193.A O no hydrogen 3.422 N/A ASN 196.A ND2 VAL 230.A O no hydrogen 3.342 N/A ALA 198.A N MET 195.A O no hydrogen 2.779 N/A SER 200.A N VAL 174.A O no hydrogen 3.081 N/A HIS 201.A NE2 GLU 33.A OE1 no hydrogen 2.723 N/A GLN 203.A N LEU 176.A O no hydrogen 2.981 N/A GLN 203.A NE2 GLU 33.A OE2 no hydrogen 2.938 N/A ILE 204.A N GLY 237.A O no hydrogen 2.956 N/A ALA 205.A N TYR 220.A OH no hydrogen 3.352 N/A SER 206.A N HIS 211.A O no hydrogen 2.799 N/A SER 206.A OG GLU 215.A OE2 no hydrogen 2.925 N/A ARG 210.A N SER 206.A O no hydrogen 2.828 N/A HIS 211.A N SER 206.A OG no hydrogen 2.762 N/A HIS 211.A ND1 ASN 241.A O no hydrogen 2.669 N/A GLU 212.A N GLU 212.A OE1 no hydrogen 2.802 N/A ASP 214.A N GLU 212.A O no hydrogen 2.816 N/A GLU 217.A N VAL 207.A O no hydrogen 2.925 N/A TYR 220.A OH ALA 205.A O no hydrogen 2.680 N/A LEU 223.A N ASN 219.A O no hydrogen 3.280 N/A PHE 224.A N TYR 220.A O no hydrogen 2.855 N/A SER 225.A N PRO 221.A O no hydrogen 3.193 N/A SER 225.A OG TYR 222.A O no hydrogen 2.530 N/A VAL 226.A N TYR 222.A O no hydrogen 3.015 N/A LEU 227.A N LEU 223.A O no hydrogen 3.027 N/A GLU 228.A N PHE 224.A O no hydrogen 3.142 N/A SER 229.A N SER 225.A O no hydrogen 2.959 N/A SER 229.A OG VAL 226.A O no hydrogen 2.743 N/A VAL 230.A N VAL 226.A O no hydrogen 3.036 N/A GLY 231.A N GLU 228.A O no hydrogen 3.064 N/A TYR 232.A N LEU 227.A O no hydrogen 2.961 N/A TYR 232.A OH TRP 235.A O no hydrogen 2.754 N/A ARG 233.A NH1 GLU 228.A O no hydrogen 3.352 N/A ARG 233.A NH1 TYR 232.A O no hydrogen 2.878 N/A VAL 236.A N ARG 3.A O no hydrogen 2.793 N/A GLY 237.A N VAL 202.A O no hydrogen 2.736 N/A CYS 238.A N ALA 5.A O no hydrogen 2.827 N/A CYS 238.A SG ALA 5.A O no hydrogen 3.747 N/A ASN 241.A N ARG 210.A O no hydrogen 2.802 N/A ARG 243.A N GLU 212.A OE1 no hydrogen 2.930 N/A ARG 243.A NH1 ASP 214.A OD1 no hydrogen 3.019 N/A ARG 243.A NH1 GLU 215.A OE1 no hydrogen 2.810 N/A ARG 243.A NH2 ASP 214.A OD1 no hydrogen 3.467 N/A ARG 243.A NH2 ASP 214.A OD2 no hydrogen 3.435 N/A THR 246.A N GLU 14.A OE2 no hydrogen 2.955 N/A THR 246.A OG1 GLU 14.A OE1 no hydrogen 2.721 N/A THR 246.A OG1 GLU 14.A OE2 no hydrogen 3.431 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.805 N/A SER 248.A N LYS 245.A O no hydrogen 3.153 N/A GLY 249.A N THR 246.A O no hydrogen 3.130 N/A LEU 250.A N GLU 247.A O no hydrogen 3.328 N/A TRP 252.A NE1 TYR 240.A OH no hydrogen 3.182 N/A PHE 253.A N LEU 250.A O no hydrogen 3.016 N/A ALA 254.A N ALA 251.A O no hydrogen 3.090 N/A TYR 256.A N PHE 253.A O no hydrogen 2.851 N/A ASP 258.A N GLY 28.A O no hydrogen 2.767 N/A